Epicatechin-3-Gallate
TL;DR: Epicatechin-3-Gallate (CAS 863-03-6) is a chemical compound with molecular formula C22H18O10 and molecular weight 442.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
Also Known As: Epicatechin gallate, Epicatechin-3-gallate, epicatechin-gallate, (-)-Epicatechin gallate, epicatechin-o-gallate
| Molecular Formula | C22H18O10 |
|---|---|
| Molecular Weight | 442.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 177.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.09 |
| Heavy Atoms | 32 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 863-03-6 |
|---|---|
| SMILES | C1[C@@H]([C@@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
| InChIKey | LSHVYAFMTMFKBA-FPOVZHCZSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Epicatechin-3-Gallate (CAS 863-03-6), with molecular formula C22H18O10 and molecular weight 442.09 g/mol. IUPAC: [(2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate.
Chemical Property Profile of Epicatechin-3-Gallate
Property Insights of Epicatechin-3-Gallate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Epicatechin-3-Gallate. The TPSA of 177.0 Ų indicates high polarity, suggesting Epicatechin-3-Gallate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Epicatechin-3-Gallate has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Epicatechin-3-Gallate?
The CAS number of Epicatechin-3-Gallate is 863-03-6.
What is the molecular formula of Epicatechin-3-Gallate?
The molecular formula of Epicatechin-3-Gallate is C22H18O10.
What is the molecular weight of Epicatechin-3-Gallate?
The molecular weight of Epicatechin-3-Gallate is 442.09 g/mol.
Where can I buy Epicatechin-3-Gallate?
You can request a quote for Epicatechin-3-Gallate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Epicatechin-3-Gallate?
Yes, KEHONG BIO provides custom synthesis services for Epicatechin-3-Gallate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.